NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundmulberrofuran D
NPACT-IdNPACT01269
IUPAC-
Synonyms5-(7-(3,7-Dimethyl-2,6-octadienyl)-6-hydroxy-1-benzofuran-2-yl)-4-(3-methyl-2-butenyl)-1,3-benzenediol;5-[7-(3,7-dimethylocta-2,6-dien-1-yl)-6-hydroxy-1-benzofuran-2-yl]-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol;5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1-benzofuran-2-yl]-4-(3-methylbut-2-enyl)benzene-1,3-diol
PubChem Id5467256
ClassBenzofuranoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWCJPAQJEARHLGS-KEBDBYFISA-N
InChi1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+
SMILESo1c2c(C/C=C(/CCC=C(C)C)C)c(O)ccc2cc1c1c(CC=C(C)C)c(O)cc(O)c1
SMART[H]OC1=C([H])C(C2=C([H])C3=C(O2)C(=C(O[H])C([H])=C3[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])=C(C(O[H])=C1[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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